CID 211598

66120 md

Structural Information

Molecular Formula
C13H14F3NO2
SMILES
C#CCOCC(CNC1=CC=C(C=C1)C(F)(F)F)O
InChI
InChI=1S/C13H14F3NO2/c1-2-7-19-9-12(18)8-17-11-5-3-10(4-6-11)13(14,15)16/h1,3-6,12,17-18H,7-9H2
InChIKey
SNLNHWZYMQTTKB-UHFFFAOYSA-N
Compound name
1-prop-2-ynoxy-3-[4-(trifluoromethyl)anilino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.09766 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.10494 157.9
[M+Na]+ 296.08688 165.7
[M-H]- 272.09038 154.6
[M+NH4]+ 291.13148 171.1
[M+K]+ 312.06082 161.4
[M+H-H2O]+ 256.09492 143.4
[M+HCOO]- 318.09586 170.2
[M+CH3COO]- 332.11151 204.3
[M+Na-2H]- 294.07233 159.8
[M]+ 273.09711 149.1
[M]- 273.09821 149.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.